phenyl-picryl sulfide | 14678-56-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: phenyl-picryl sulfide
• 英文别名: Phenyl-picryl-sulfid；Phenyl-(2.4.6-trinitro-phenyl)-sulfid；2.4.6-Trinitro-diphenylsulfid；Benzene, 1,3,5-trinitro-2-(phenylthio)-；1,3,5-trinitro-2-phenylsulfanylbenzene
• CAS: 14678-56-9
• 化学式: C₁₂H₇N₃O₆S
• mdl: MFCD00401508
• 分子量: 321.27
• InChiKey: ZWQCBGUXALYGIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  163
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  phenyl-picryl sulfide 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 、
  参考文献：
  名称：

  Chamberlin, Rachel; Crampton, Michael R.; Knight, Roland L., Journal of Chemical Research, Miniprint, 1993, # 11, p. 2986 - 2998

  摘要：

  DOI：
• 作为产物：
  描述：

  苯基-苦基砜 、 苯硫酚 在 1,4-二氧六环 、 碳酸氢钠 作用下， 生成 phenyl-picryl sulfide
  参考文献：
  名称：

  Leandri; Tundo, Annali di Chimica, 1954, vol. 44, p. 479,487

  摘要：

  DOI：

文献信息

• Chamberlin, Rachel A.; Crampton, Michael R., Journal of the Chemical Society. Perkin transactions II, 1994, # 3, p. 425 - 432
  作者：Chamberlin, Rachel A.、Crampton, Michael R.

  DOI：——

  日期：——
• Passerini, Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1950, vol. 8, p. 122
  作者：Passerini

  DOI：——

  日期：——
• Studies on the Linear Crystallization of TNT Systems¹
  作者：W. A. Gey、E. R. Dalbey、R. W. Van Dolah

  DOI：10.1021/ja01590a008

  日期：1956.5
• Kinetic and equilibrium studies of ?-adduct formation and substitution in the reactions of sulphite ions with some alkyl and aryl ethers and thioethers
  作者：Michael R. Crampton、Anthony J. Holmes

  DOI：10.1002/(sici)1099-1395(1998110)11:11<787::aid-poc38>3.0.co;2-0

  日期：1998.11

  Kinetic and equilibrium results are reported for the reactions of sulphite with the ethyl and phenyl ethers of 2,4,6-trinitrophenol and 2,4,6-trinitrotbiophenol in 80/20 (v/v) water/DMSO. In each case 1:1 and 1:2 adducts are observed by reaction of sulphite at one or two unsubstituted ring positions respectively. In the case of the ethyl derivatives these adducts are long-lived; however, the phenyl derivatives rapidly yield 2,4,6-trinitrobenzene-sulphonate, the substitution product. This difference is attributed to a change in the nature of the rate-determining step, from nucleophilic attack with the phenyl derivatives to leaving group departure with the alkyl derivatives. (C) 1998 John Wiley & Sons, Ltd.
• Leandri; Tundo, Annali di Chimica, 1954, vol. 44, p. 479,487
  作者：Leandri、Tundo

  DOI：——

  日期：——